(5-ethanoyl-2-methoxy-phenyl)methyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H25BrO4/c1-13(23)16-3-4-18(25-2)17(6-16)11-26-19(24)20-7-14-5-15(8-20)10-21(22,9-14)12-20/h3-4,6,14-15H,5,7-12H2,1-2H3